BioLiP

PDB

BioLiP

PDB CCD ID:

A1H22

Number of entries in BioLiP:

Chemical formula:

C39 H80 O21

InChI:

InChI=1S/C39H80O21/c40-1-4-43-7-10-46-13-16-49-19-21-52-25-27-55-31-33-58-37-39(60-36-35-57-30-29-54-24-23-51-18-15-48-12-9-45-6-3-42)38-59-34-32-56-28-26-53-22-20-50-17-14-47-11-8-44-5-2-41/h39-42H,1-38H2

InChIKey:

PVDRPYVNUSQYRG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(COCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOCCO)OCCOCCOCCOCCOCCOCCO)O
CACTVS 3.385	OCCOCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOCCO)OCCOCCOCCOCCOCCOCCO

Name:

Glycerol ethoxylate;
2-[2-[2-[2-[2-[2-[2,3-bis[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).